Full Dimensional Potentials, Dipole Moment Surfaces And (ro)vibrational Calculations For H5+, H7+ And Hoco

Bowman, Joel

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https://hdl.handle.net/2142/50796 Copy

Description

Title

Full Dimensional Potentials, Dipole Moment Surfaces And (ro)vibrational Calculations For H5+, H7+ And Hoco

Author(s)

Bowman, Joel

Contributor(s)

• Wang, Yimin
• Carter, Stuart

Issue Date

2014-06-18

Keyword(s)

Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions

Abstract

"I will describe progress in the first-principles calculations of ``line-list"" ro-vibrational spectra of H$_{5}^{+}$, D$_{5}^{+}$ and HOCO and low-resolution spectrum of H$_{7}^{+}$, along with insights into the internal motions of these species. The calculations make use of full-dimensional ab initio potential and dipole moment surfaces and the code ""MULTIMODE""."

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/50796

DOI

https://doi.org/10.15278/isms.2014.WG14

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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